SCHEMBL3826174

SCHEMBL3826174

O=C(OCc1ccccc1)N1CCS(=O)(=O)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ NPC1 O15118 3/20 0.62
▸ RAB9A P51151 3/20 0.62
▸ CYP2C19 P33261 1/20 0.59
▸ GRIN2B Q13224 4/20 0.50
▸ TMEM97 Q5BJF2 4/20 0.50
▸ SIGMAR1 Q99720 4/20 0.50
▸ HTR2C P28335 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ ADRA2B P18089 1/20 0.50
▸ ADRA2C P18825 1/20 0.50
▸ DRD1 P21728 1/20 0.50
▸ HRH2 P25021 1/20 0.50
▸ HTR1B P28222 1/20 0.50
▸ HTR2A P28223 1/20 0.50

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
SCHEMBL19135561 0.88 MEN1 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL379160 0.87 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4814264 0.87 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7393652 0.87 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3970912 0.87 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Bicarbonate SCHEMBL4357688 0.85 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15011579 0.85 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL12551274 0.85 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL771824 0.84 MEN1 (0.68) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7424105 0.83 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234928-A1 Novel Compounds for Treating Fibrosis and Inflammatory Conditions MAKSCIENTIFIC, LLC 2023-07-27 — — US disclosed
US-8828641-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-09 — — US disclosed
US-8828641-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-09 — — US disclosed
US-20110129777-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-06-02 — — US disclosed
US-20110129777-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-06-02 — — US disclosed
EP-1581535-B3 PYRROLOPYRIDAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2009-09-02 — — EP disclosed
EP-1581535-B9 PYRROLOPYRIDAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-03-19 — — EP disclosed
US-7317009-B2 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2008-01-08 — — US disclosed
EP-1581535-B1 PYRROLOPYRIDAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2007-10-24 — — EP disclosed
US-7153854-B2 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2006-12-26 — — US disclosed
US-20060270678-A1 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2006-11-30 — — US disclosed
EP-1581535-A1 PYRROLOPYRIDAZINE DERIVATIVES Astellas Pharma Inc. (JP) 2005-10-05 — — EP disclosed
US-20050075342-A1 Pyrrolopyridazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-07 — — US disclosed
WO-2004063197-A1 PYRROLOPYRIDAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-29 — — WO disclosed
EP-0775132-B1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LTD (GB) 2001-03-28 — — EP disclosed
US-5968923-A ANTIINFLAMMATORY AGENTS, TREATMENT OF NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS PFIZER INC. (US) 1999-10-19 — — US disclosed
EP-0775132-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS Pfizer Limited (GB) 1997-05-28 — — EP disclosed
WO-1996005193-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1996-02-22 — — 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 (3 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-20050075342-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 MEN1 3215/4885KMT2A 3174/4885NPSR1 1002/4885
US-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 MEN1 3215/4885KMT2A 3174/4885NPSR1 1002/4885
US-20230234928-A1 Novel Compounds for Treating Fibrosis and Inflammatory Conditions CNR2, CNR1, GPR174 MEN1 3050/4885KMT2A 2952/4885NPSR1 135/4885

“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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