SCHEMBL11987000

SCHEMBL11987000

CC(C(=O)O)C(CC(=O)c1ccc(N)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.44
▸ TSHR P16473 1/20 0.41
▸ USP5 P45974 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ADRB2 P07550 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ SLC22A6 Q4U2R8 1/20 0.38
▸ SLC22A8 Q8TCC7 1/20 0.38
▸ HPGD P15428 1/20 0.37

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
SCHEMBL8381423 0.81 POLB (0.47) POLBTSHRUSP5NPC1RAB9A
SCHEMBL28256540 0.78 ALDH1A1 (0.49) POLBTSHRUSP5NPC1RAB9A
SCHEMBL9806762 0.77 ADRB2 (0.47) POLBTSHRUSP5NPC1RAB9A
SCHEMBL11986999 0.76 L3MBTL1 (0.48) TSHRNPC1RAB9AADRB2ADRB1
SCHEMBL9064982 0.75 KMO (0.60) POLBTSHRMAPTKDM4EHIF1A
SCHEMBL9420250 0.75 KMO (0.57) POLBTSHRADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL6480182 0.74 KMO (0.61) POLBTSHRMAPTKDM4EHIF1A
SCHEMBL7188801 0.72 TSHR (0.60) POLBTSHRNPC1RAB9ALMNA
SCHEMBL6502449 0.72 TSHR (0.60) POLBTSHRNPC1RAB9ALMNA
SCHEMBL27392653 0.71 ADRB2 (0.41) POLBTSHRNPC1RAB9AADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247422-B2 Use of condensed pyrimidine derivatives for the treatment of rheumatoid arthritis STOICESCU DAN (CH) 2012-08-21 — — US disclosed
US-20100249141-A1 NOVEL INHIBITORS OF FOLIC ACID-DEPENDENT ENZYMES STOICESCU DAN 2010-09-30 — — US disclosed
US-20100160329-A1 USE OF CONDENSED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES STOICESCU DAN 2010-06-24 — — US 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 (2 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-20100160329-A1 USE OF CONDENSED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES CCR8, HRH4, CXCL8 POLB 2036/4885TSHR 261/4885USP5 3283/4885
US-20100249141-A1 NOVEL INHIBITORS OF FOLIC ACID-DEPENDENT ENZYMES FOLR2, FOLR1, DHFR POLB 1480/4885TSHR 295/4885USP5 1985/4885

“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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