SCHEMBL2341314

SCHEMBL2341314

Cc1cccc(C(=O)OCCl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ ADRB2 P07550 2/20 0.54
▸ ADRB1 P08588 2/20 0.54
▸ ADRB3 P13945 2/20 0.54
▸ PARP1 P09874 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ TDP1 Q9NUW8 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27588015 0.87 ESR1 (0.46) NPC1RAB9AL3MBTL1TDP1KDM4E
SCHEMBL28151511 0.86 L3MBTL1 (0.56) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL29360475 0.85 TDP1 (0.60) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL822797 0.85 NPC1 (0.57) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL570920 0.85 TDP1 (0.60) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL9044225 0.85 L3MBTL1 (0.61) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL27980680 0.84 NPC1 (0.56) NPC1RAB9AADRB2ADRB1ADRB3
Ammonia Solution, Strong SCHEMBL27753074 0.84 TDP1 (0.59) NPC1RAB9AADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL28864124 0.84 L3MBTL1 (0.59) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL13773348 0.82 PARP1 (0.56) NPC1RAB9AADRB2ADRB1ADRB3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903979-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS INC (US) 2020-08-19 — — EP claimed
US-9487500-B2 Compounds and compositions thereof INHIBIKASE THERAPEUTICS, INC. (US) 2016-11-08 — — US claimed
US-9359376-B2 Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PTE. LTD (SG) 2016-06-07 — — US claimed
EP-2903979-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES Inhibikase Therapeutics, Inc. (US) 2015-08-12 — — EP claimed
US-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS PIVOT HOLDING LLC 2014-05-01 — — US claimed
US-20140100225-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS, INC. (US) 2014-04-10 — — US claimed
WO-2014055938-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS, INC. (US) 2014-04-10 — — WO claimed
EP-2693876-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS Sphaera Pharma Pte. Ltd (SG) 2014-02-12 — — EP claimed
WO-2012137225-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-10-11 — — WO claimed
US-12629371-B2 Compositions and methods for inhibiting kinases INHIBIKASE THERAPEUTICS, INC. (US) 2026-05-19 — — US disclosed
CN-109608436-B Substituted methyl formyl reagents and methods of using same to improve physicochemical and/or pharmacokinetic properties of compounds 斯法尔制药私人有限公司 2022-10-11 — — CN disclosed
EP-2903979-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS INC (US) 2020-08-19 — — EP disclosed
US-20200046699-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES INHIBIKASE THERAPEUTICS, INC. 2020-02-13 — — US disclosed
EP-3532066-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES Inhibikase Therapeutics, Inc. (US) 2019-09-04 — — EP disclosed
WO-2012137225-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-10-11 — — WO disclosed
WO-2012137225-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-10-11 — — WO disclosed
EP-2215086-B1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL CO (JP) 2011-08-24 — — EP disclosed
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-11 — — US disclosed
EP-2215086-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST Sumitomo Chemical Company, Limited (JP) 2010-08-11 — — EP disclosed
WO-2009066786-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-28 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS TPMT, BHMT2, PFAS NPC1 1796/4885RAB9A 4000/4885ADRB2 3965/4885
US-12629371-B2 Compositions and methods for inhibiting kinases PTK2, HCK, PTK2B NPC1 3683/4885RAB9A 1678/4885ADRB2 594/4885
US-20140100225-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES POLI, MCL1, HRAS NPC1 784/4885RAB9A 526/4885ADRB2 4837/4885
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST C5, PRDX1, PLPBP NPC1 4039/4885RAB9A 772/4885ADRB2 3229/4885
US-20200046699-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES ABL1, FYN, PTK2 NPC1 3173/4885RAB9A 1520/4885ADRB2 4154/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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