SCHEMBL19862054

SCHEMBL19862054

Cc1c(Br)ccc(C=O)c1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
PRKDC P78527 1/20 0.34
KCNJ1 P48048 2/20 0.34
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ERN1 O75460 5/20 0.31
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
CYP2A6 P11509 1/20 0.31
ALDH1A3 P47895 1/20 0.30

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
SCHEMBL31104367 1.00 ALDH1A1 (0.35) ALDH1A1TSHRPRKDCKCNJ1LMNA
SCHEMBL26050997 0.83 KCNJ1 (0.36) ALDH1A1TSHRPRKDCKCNJ1LMNA
SCHEMBL898807 0.80 TDP1 (0.36) ALDH1A1TSHRPRKDCKCNJ1LMNA
SCHEMBL29390677 0.80 TDP1 (0.36) ALDH1A1TSHRPRKDCKCNJ1LMNA
SCHEMBL6015132 0.80 ALDH1A1 (0.39) ALDH1A1TSHRPRKDCKCNJ1LMNA
SCHEMBL584614 0.78 ERN1 (0.42) ALDH1A1TSHRKCNJ1LMNAMEN1
SCHEMBL6438818 0.78 ALDH1A1 (0.43) ALDH1A1TSHRKCNJ1LMNAMEN1
SCHEMBL30065195 0.77 ALDH1A1 (0.41) ALDH1A1TSHRPRKDCKCNJ1LMNA
SCHEMBL19641559 0.77 ALDH1A1 (0.41) ALDH1A1TSHRPRKDCKCNJ1LMNA
SCHEMBL25250329 0.75 ERN1 (0.39) ALDH1A1TSHRPRKDCLMNAERN1

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
US-20250059161-A1 COMPOUNDS AND METHODS FOR MODULATING STAT3 VIVIDION THERAPEUTICS, INC. 2025-02-20 US disclosed
WO-2024182693-A1 2-AZASPIRO[3.3]HEPTANE DERIVATIVES AS STAT3 INHIBITORS FOR THE TREATMENT OF CANCER VIVIDION THERAPEUTICS, INC. (US) 2024-09-06 WO disclosed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
EP-3625228-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP disclosed
CN-110612299-A Pyrimidine derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-24 CN disclosed
WO-2018210988-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO disclosed
US-20180044302-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2018-02-15 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 (4 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-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 ALDH1A1 468/4885TSHR 654/4885PRKDC 4809/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 ALDH1A1 468/4885TSHR 654/4885PRKDC 4809/4885
US-20250059161-A1 COMPOUNDS AND METHODS FOR MODULATING STAT3 STAT3, JAK2, STAT1 ALDH1A1 2652/4885TSHR 1618/4885PRKDC 2817/4885
US-20180044302-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 ALDH1A1 1342/4885TSHR 3371/4885PRKDC 1871/4885

“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.