SCHEMBL3779950

SCHEMBL3779950

Nc1ccccc1Cc1cccc(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.53
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
TSHR P16473 1/20 0.49
PTPN1 P18031 1/20 0.48
ANPEP P15144 1/20 0.48
ENPEP Q07075 1/20 0.48
PLA2G2A P14555 1/20 0.47
KMT2A Q03164 1/20 0.47
NR4A2 P43354 1/20 0.46
MRGPRX4 Q96LA9 5/20 0.44

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
SCHEMBL4861257 0.83 TSHR (0.70) FOLH1CA1CA2CA9TSHR
SCHEMBL9851069 0.82 LOXL2 (0.61) TSHRMRGPRX4
SCHEMBL6825536 0.81 TSHR (0.67) CA1CA2CA9TSHRPLA2G2A
SCHEMBL1926951 0.81 FOLH1 (0.66) FOLH1PRSS1PRSS2PRSS3CA1
SCHEMBL70351 0.80 FOLH1 (0.70) FOLH1PRSS1PRSS2PRSS3CA1
SCHEMBL30791058 0.80 FOLH1 (0.70) FOLH1PRSS1PRSS2PRSS3CA1
SCHEMBL12989233 0.78 FOLH1 (0.50) FOLH1CA1CA2CA9TSHR
SCHEMBL12775045 0.78 FOLH1 (0.58) FOLH1PRSS1PRSS2PRSS3CA1
Acetic Acid SCHEMBL28180936 0.78 LMNA (0.48) TSHRPTPN1PLA2G2A
SCHEMBL26567800 0.77 ALDH1A1 (0.72) CA1CA2CA9TSHRPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113173885-A Method for synthesizing benzydamine hydrochloride impurity B 龙曦宁(上海)医药科技有限公司 2021-07-27 CN disclosed
CN-113173885-A Method for synthesizing benzydamine hydrochloride impurity B 龙曦宁(上海)医药科技有限公司 2021-07-27 CN disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 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 (1 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-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B FOLH1 4501/4885PRSS1 1758/4885PRSS2 1513/4885

“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.