SCHEMBL4129645

SCHEMBL4129645

CC(=O)c1cc(C(=O)O)ccc1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPMT P51580 3/20 0.48
▸ AKR1C3 P42330 6/20 0.44
▸ AKR1C2 P52895 6/20 0.44
▸ TSHR P16473 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ AKR1B10 O60218 1/20 0.43
▸ AKR1B1 P15121 1/20 0.43
▸ AKR1C4 P17516 1/20 0.43
▸ AKR1C1 Q04828 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ GRIN2D O15399 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA4 P22748 2/20 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
SCHEMBL9080711 0.85 KDM4E (0.52) TPMTTSHRKDM4EGAAALDH1A1
SCHEMBL9116105 0.84 TPMT (0.54) TPMTAKR1C3AKR1C2TSHRKDM4E
SCHEMBL27958985 0.84 AKR1C3 (0.53) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL7898447 0.81 KDM4E (0.52) TPMTAKR1C3AKR1C2TSHRKDM4E
SCHEMBL4129856 0.79 KDM4E (0.50) TSHRKDM4EGAAALDH1A1RAB9A
SCHEMBL15369488 0.79 KDM4E (0.55) AKR1C3AKR1C2TSHRKDM4EGAA
SCHEMBL15507330 0.79 KDM4E (0.60) AKR1C3AKR1C2TSHRKDM4EGAA
SCHEMBL19329021 0.78 KDM4E (0.58) AKR1C3AKR1C2TSHRKDM4EGAA
SCHEMBL6589349 0.78 TSHR (0.50) AKR1C3AKR1C2TSHRKDM4EGAA
SCHEMBL29956901 0.78 KDM4E (0.59) AKR1C3AKR1C2TSHRKDM4EGAA

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-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 — — US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 — — US disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 — — EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 — — US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 — — 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 (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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 TPMT 895/4885AKR1C3 3229/4885AKR1C2 3747/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 TPMT 895/4885AKR1C3 3229/4885AKR1C2 3747/4885

“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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