SCHEMBL343405

SCHEMBL343405

CCCc1ccc2c(C(=O)O)cccc2c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.57
TBXAS1 P24557 1/20 0.53
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
DHODH Q02127 4/20 0.48
SORT1 Q99523 1/20 0.48
MCL1 Q07820 1/20 0.47
METAP2 P50579 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NCEH1 Q6PIU2 2/20 0.44
KAT8 Q9H7Z6 2/20 0.43
PPARA Q07869 1/20 0.43
PPARG P37231 1/20 0.43
CDC25B P30305 1/20 0.42

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
SCHEMBL343983 0.91 PTPN1 (0.54) PTPN1TBXAS1NR4A1NR4A2NR4A3
SCHEMBL344105 0.90 KAT8 (0.57) PTPN1TBXAS1NR4A1NR4A2NR4A3
SCHEMBL344421 0.88 PPARA (0.59) PTPN1TBXAS1DHODHKAT8PPARA
SCHEMBL344535 0.88 PPARA (0.59) PTPN1TBXAS1DHODHKAT8PPARA
SCHEMBL345159 0.87 PTPN1 (0.60) PTPN1TBXAS1NR4A1NR4A2NR4A3
SCHEMBL9857393 0.85 CNR2 (0.47) PTPN1MCL1NCEH1CDC25B
SCHEMBL344926 0.84 DHODH (0.53) DHODHSORT1KDM4ENCEH1
SCHEMBL1697021 0.82 PTPN1 (0.51) PTPN1TBXAS1NR4A1NR4A2NR4A3
SCHEMBL9761825 0.82 PTPN1 (0.62) PTPN1TBXAS1NR4A1NR4A2NR4A3
SCHEMBL28144052 0.81 PTPN1 (0.57) PTPN1TBXAS1NR4A1NR4A2NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714238-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2017-07-25 US disclosed
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2016-11-24 US disclosed
US-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2015-06-25 US disclosed
US-8633220-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2014-01-21 US disclosed
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-19 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 (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-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PTPN1 3624/4885TBXAS1 73/4885NR4A1 1808/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PTPN1 3624/4885TBXAS1 73/4885NR4A1 1808/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PTPN1 3624/4885TBXAS1 73/4885NR4A1 1808/4885

“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.