SCHEMBL15929240

SCHEMBL15929240

CC(C)(C)c1ccc(-c2cc(=O)ss2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.41
KIF11 P52732 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MITF O75030 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
NOTUM Q6P988 1/20 0.38
TSHR P16473 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.35
TYR P14679 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL15928850 0.77 HDAC3 (0.58) PRKDCKIF11ALDH1A1MITFTP53
SCHEMBL15123780 0.74 PRKDC (0.60) PRKDCKIF11ALDH1A1MITFTP53
SCHEMBL15929239 0.73 LMNA (0.36) PRKDCKIF11ALDH1A1MITFTP53
SCHEMBL19735284 0.70 APP (0.48) PRKDCKIF11ALDH1A1MITFTP53
SCHEMBL3423876 0.68 KIF11 (0.70) KIF11ALDH1A1MITFTP53KMT2A
SCHEMBL26915 0.68 KIF11 (0.70) KIF11ALDH1A1MITFTP53KMT2A
SCHEMBL23319641 0.67 KIF11 (0.61) KIF11ALDH1A1MITFTP53KMT2A
SCHEMBL4322427 0.67 KIF11 (0.61) KIF11ALDH1A1MITFTP53KMT2A
Lithium SCHEMBL29536927 0.66 KIF11 (0.67) KIF11ALDH1A1MITFTP53KMT2A
SCHEMBL1931781 0.66 KIF11 (0.67) KIF11ALDH1A1MITFTP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023142996-A1 METHOD FOR PREVENTING OR TREATING DISEASE OR DISORDER ASSOCIATED WITH ANTINEOPLASTIC AGENT 上海岸阔医药科技有限公司 2023-08-03 WO disclosed
US-10450260-B2 NO- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2019-10-22 US disclosed
US-10023555-B2 NSAIDs derivatives and uses thereof RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2018-07-17 US disclosed
US-10023555-B2 NSAIDs derivatives and uses thereof RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2018-07-17 US disclosed
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2017-09-14 US disclosed
US-9688607-B2 No- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2017-06-27 US disclosed
US-20170174651-A1 Method of Priming Plants Against Abiotic Stress Factors CYPRUS UNIVERSITY OF TECHNOLOGY (CY) 2017-06-22 US disclosed
US-20150376162-A1 NSAIDs DERIVATIVES AND USES THEREOF RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2015-12-31 US disclosed
US-20140221316-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2014-08-07 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 (6 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-20140221316-A1 NO- AND H2S- RELEASING COMPOUNDS PTGS1, NOS2, NOS1 PRKDC 3413/4885KIF11 4574/4885ALDH1A1 363/4885
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS NOS2, NOS3, NOS1 PRKDC 3417/4885KIF11 4688/4885ALDH1A1 961/4885
US-10450260-B2 NO- and H2S-releasing compounds NOS2, NOS3, NOS1 PRKDC 3417/4885KIF11 4688/4885ALDH1A1 961/4885
US-10023555-B2 NSAIDs derivatives and uses thereof PTGES, PTGES3, PTGS1 PRKDC 3035/4885KIF11 4533/4885ALDH1A1 383/4885
US-20150376162-A1 NSAIDs DERIVATIVES AND USES THEREOF PTGES, PTGES3, PTGS1 PRKDC 3035/4885KIF11 4533/4885ALDH1A1 383/4885
US-20170174651-A1 Method of Priming Plants Against Abiotic Stress Factors NOS2, NOS1, HSF1 PRKDC 2453/4885KIF11 4825/4885ALDH1A1 3155/4885

“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.