SCHEMBL725552

SCHEMBL725552

CSc1ccc(C(=O)C(C)(C)Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 1/20 0.54
PLK1 P53350 1/20 0.52
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
HPGD P15428 4/20 0.44
HSD17B10 Q99714 3/20 0.44
HAO1 Q9UJM8 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 2/20 0.41
GAA P10253 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL28733592 0.86 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL13610814 0.85 ALDH1A1 (0.56) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL8630154 0.85 HPGD (0.56) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL6964815 0.83 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL10104553 0.82 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL10888489 0.82 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL7195729 0.79 CES1 (0.54) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL1553692 0.79 HPGD (0.61) ALDH1A1SMN1; SMN2MAPK1HPGDLMNA
SCHEMBL7495655 0.79 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL7495651 0.79 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110914250-B Novel process for synthesizing tilobaxib 珂思玛股份公司 2023-06-27 CN claimed
EP-3609877-B1 PROCESS FOR THE SYNTHESIS OF FIROCOXIB COSMA S P A (IT) 2020-12-23 EP claimed
US-10807962-B2 Process for the synthesis of firocoxib COSMA S.P.A. (IT) 2020-10-20 US claimed
US-20200102279-A1 NEW PROCESS FOR THE SYNTHESIS OF FIROCOXIB COSMA S.P.A. (IT) 2020-04-02 US claimed
CN-110914250-A Novel process for synthesizing felicoxib 珂思玛股份公司 2020-03-24 CN claimed
EP-3609877-A1 NEW PROCESS FOR THE SYNTHESIS OF FIROCOXIB Cosma S.p.A. (IT) 2020-02-19 EP claimed
WO-2018188763-A1 NEW PROCESS FOR THE SYNTHESIS OF FIROCOXIB COSMA S.P.A. (IT) 2018-10-18 WO claimed
CN-110914250-B Novel process for synthesizing tilobaxib 珂思玛股份公司 2023-06-27 CN disclosed
CN-110105314-B Method for preparing feloxicib 江苏君若药业有限公司 2022-05-17 CN disclosed
EP-3609877-B1 PROCESS FOR THE SYNTHESIS OF FIROCOXIB COSMA S P A (IT) 2020-12-23 EP disclosed
EP-3609877-B1 PROCESS FOR THE SYNTHESIS OF FIROCOXIB COSMA S P A (IT) 2020-12-23 EP disclosed
US-10807962-B2 Process for the synthesis of firocoxib COSMA S.P.A. (IT) 2020-10-20 US disclosed
US-10807962-B2 Process for the synthesis of firocoxib COSMA S.P.A. (IT) 2020-10-20 US disclosed
US-20120190846-A1 MICHAEL ADDITION REACTION PRODUCT AND ACTIVE ENERGY RAY-CURABLE COMPOSITION DIC CORPORATION. (JP) 2012-07-26 US disclosed
US-20120190846-A1 MICHAEL ADDITION REACTION PRODUCT AND ACTIVE ENERGY RAY-CURABLE COMPOSITION DIC CORPORATION. (JP) 2012-07-26 US disclosed
US-20120190846-A1 MICHAEL ADDITION REACTION PRODUCT AND ACTIVE ENERGY RAY-CURABLE COMPOSITION DIC CORPORATION. (JP) 2012-07-26 US disclosed
EP-2450344-A1 MICHAEL ADDITION REACTION PRODUCT AND ACTIVE ENERGY RAY-CURABLE COMPOSITION DIC Corporation (JP) 2012-05-09 EP disclosed
WO-2012000846-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2012-01-05 WO disclosed
US-6022906-A α-aminoacetophenone photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-02-08 US disclosed
US-4582862-A QUICK-SETTING PRINTING INKS BASED ON ACRYLATED RESINS CIBA-GEIGY CORPORATION (US) 1986-04-15 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 (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-20200102279-A1 NEW PROCESS FOR THE SYNTHESIS OF FIROCOXIB PPOX, RIOX2, CYP4X1 ALDH1A1 458/4885TSHR 4101/4885SMN1; SMN2 3962/4885
US-20120190846-A1 MICHAEL ADDITION REACTION PRODUCT AND ACTIVE ENERGY RAY-CURABLE COMPOSITION PARP14, TIPARP, PARP16 ALDH1A1 590/4885TSHR 4224/4885SMN1; SMN2 4455/4885
US-10807962-B2 Process for the synthesis of firocoxib RIOX2, PPOX, CYP4X1 ALDH1A1 437/4885TSHR 3783/4885SMN1; SMN2 3438/4885

“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.