SCHEMBL679717

SCHEMBL679717

[NH]Cc1ccc(C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
TSHR P16473 3/20 0.60
TP53 P04637 1/20 0.60
SRD5A2 P31213 3/20 0.52
KMT2A Q03164 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA3 P07451 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
TYR P14679 1/20 0.50
DRD1 P21728 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL8059670 0.81 ALDH1A1 (0.56) ALDH1A1TSHRTP53SRD5A2KMT2A
Terephthalic Acid SCHEMBL4612225 0.79 TSHR (0.67) ALDH1A1TSHRTP53SRD5A2KMT2A
SCHEMBL70166 0.79 TSHR (0.67) ALDH1A1TSHRTP53SRD5A2KMT2A
SCHEMBL68390 0.79 SRD5A2 (0.69) ALDH1A1TSHRTP53SRD5A2KMT2A
SCHEMBL2643786 0.78 PLA2G10 (0.57) ALDH1A1TSHRKMT2ACA1CA2
SCHEMBL2642382 0.78 KMT2A (0.67) KMT2ASMN1; SMN2GAAMAPTL3MBTL1
SCHEMBL10965462 0.78 CA12 (0.70) ALDH1A1TSHRTP53SRD5A2KMT2A
SCHEMBL1604682 0.78 ALDH1A1 (0.58) ALDH1A1TSHRTP53SRD5A2KMT2A
Terephthalic Acid SCHEMBL175823 0.78 TSHR (1.00) ALDH1A1TSHRTP53SRD5A2CA1
Terephthalic Acid SCHEMBL5053781 0.78 TSHR (1.00) ALDH1A1TSHRTP53SRD5A2CA1

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 135 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154941-B1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2021-01-20 EP claimed
US-20190040008-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2019-02-07 US claimed
US-10077238-B2 Small molecule LFA-1 inhibitors ALLOCYTE PHARMACEUTICALS AG (CH) 2018-09-18 US claimed
US-20170121284-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2017-05-04 US claimed
EP-3154941-A1 SMALL MOLECULE LFA-1 INHIBITORS AlloCyte Pharmaceuticals AG (CH) 2017-04-19 EP claimed
WO-2015189265-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2015-12-17 WO claimed
EP-2049536-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2009-04-22 EP claimed
EP-2044083-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2009-04-08 EP claimed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US claimed
US-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. 2008-02-21 US claimed
US-6541499-B1 Antithrombotic agents ELI LILLY AND COMPANY 2003-04-01 US claimed
US-6271227-B1 ANTICOAGULANTS ELI LILLY AND COMPANY 2001-08-07 US claimed
EP-1019047-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-06-13 EP claimed
US-6180631-B1 PREVENTING AND TREATING SERINE/THREONINE PROTEIN KINASE-RELATED ABNORMAL CONDITIONS IN MAMMALS ASSOCIATED WITH AN ABERRATION IN A SIGNAL TRANSDUCTION PATHWAY SUCH AS CANCER OR A FIBROTIC DISORDER ASTA MEDICA AKTIENGESELLSCHAFT (DE) 2001-01-30 US claimed
EP-1019047-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP claimed
EP-0980366-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2000-05-17 EP claimed
EP-0980366-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP claimed
WO-1998049160-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO claimed
WO-1998048800-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO claimed
US-5021439-A Senile dementia and memory dysfunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-06-04 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS EIF2AK2, ZC3HAV1, MAVS ALDH1A1 2784/4885TSHR 4802/4885TP53 1790/4885
US-10077238-B2 Small molecule LFA-1 inhibitors ICAM1, VCAM1, ITGB1 ALDH1A1 153/4885TSHR 2988/4885TP53 685/4885
US-20190040008-A1 SMALL MOLECULE LFA-1 INHIBITORS ICAM1, VCAM1, ITGB1 ALDH1A1 153/4885TSHR 2988/4885TP53 685/4885
US-20170121284-A1 SMALL MOLECULE LFA-1 INHIBITORS ICAM1, VCAM1, ITGB1 ALDH1A1 153/4885TSHR 2988/4885TP53 685/4885
US-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 1357/4885TSHR 4492/4885TP53 3049/4885

“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.