SCHEMBL3165420

SCHEMBL3165420

CCOc1ccc(F)cc1C(C)=O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
MRGPRX1 Q96LB2 4/20 0.50
CA9 Q16790 1/20 0.49
CREBBP Q92793 2/20 0.49
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.46
TSPO P30536 1/20 0.45
KDM4E B2RXH2 2/20 0.45
HCRTR1 O43613 1/20 0.45
SCN8A Q9UQD0 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43

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
SCHEMBL30628345 1.00 CYP3A4 (0.61) CYP3A4TSHRALDH1A1SMN1; SMN2HTT
SCHEMBL7649272 0.87 CA9 (0.51) CYP3A4TSHRALDH1A1SMN1; SMN2HTT
SCHEMBL31078354 0.86 TSHR (0.56) TSHRMRGPRX1LMNAL3MBTL1TSPO
SCHEMBL1188345 0.86 TSHR (0.56) TSHRMRGPRX1LMNAL3MBTL1TSPO
SCHEMBL30628273 0.86 CYP3A4 (0.61) CYP3A4TSHRALDH1A1SMN1; SMN2MRGPRX1
SCHEMBL4271221 0.86 CYP3A4 (0.61) CYP3A4TSHRALDH1A1SMN1; SMN2MRGPRX1
SCHEMBL16962098 0.86 MRGPRX1 (0.46) CYP3A4TSHRALDH1A1SMN1; SMN2HTT
SCHEMBL11287767 0.85 MRGPRX1 (0.49) CYP3A4TSHRALDH1A1SMN1; SMN2MRGPRX1
SCHEMBL31565683 0.85 MAPK1 (0.50) CYP3A4TSHRSMN1; SMN2HTTMRGPRX1
SCHEMBL718460 0.83 PTGDR2 (0.68) TSHRALDH1A1SMN1; SMN2HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3594211-B1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2023-10-25 EP disclosed
US-20220387413-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2022-12-08 US disclosed
US-11241423-B2 Antiproliferative compounds and methods of use thereof CELGENE CORPORATION (US) 2022-02-08 US disclosed
US-20200163948-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2020-05-28 US disclosed
EP-3166937-B1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2019-09-04 EP disclosed
US-20180221361-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2018-08-09 US disclosed
US-9968596-B2 Antiproliferative compounds and methods of use thereof CELGENE CORPORATION (US) 2018-05-15 US disclosed
US-20180021325-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2018-01-25 US disclosed
US-9808451-B2 Antiproliferative compounds and methods of use thereof CELGENE CORPORATION (US) 2017-11-07 US disclosed
EP-3166937-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF Celgene Corporation (US) 2017-05-17 EP disclosed
US-20060205739-A1 Aroylfuranes and aroylthiophenes BASILEA PHARMACEUTICA AG 2006-09-14 US disclosed
EP-1697336-A2 AROYLFURANES AND AROYLTHIOPHENES SUITABLE FOR THE TREATMENT OF CANCER Basilea Pharmaceutica AG (CH) 2006-09-06 EP disclosed
WO-2005061476-A2 AROYLFURANES AND AROYLTHIOPHENES BASILEA PHARMACEUTICA AG (CH) 2005-07-07 WO disclosed
US-20040116418-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2004-06-17 US disclosed
US-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB 2002-09-19 US disclosed
US-6376492-B1 GUANIDINE DERIVATIVES MEDIVIR AB (SE) 2002-04-23 US disclosed
US-5849769-A N-arylalkyl-N-heteroarylurea and guandine compounds and methods of treating HIV infection MEDIVIR AB (SE) 1998-12-15 US disclosed
EP-0706514-B1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1998-11-18 EP disclosed
EP-0706514-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1996-04-17 EP disclosed
WO-1995006034-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1995-03-02 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 (7 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-20220387413-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX CYP3A4 3767/4885TSHR 4516/4885ALDH1A1 247/4885
US-11241423-B2 Antiproliferative compounds and methods of use thereof MCL1, MKI67, BAX CYP3A4 3767/4885TSHR 4516/4885ALDH1A1 247/4885
US-20200163948-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX CYP3A4 3767/4885TSHR 4516/4885ALDH1A1 247/4885
US-20060205739-A1 Aroylfuranes and aroylthiophenes TPMT, APRT, ABAT CYP3A4 89/4885TSHR 1612/4885ALDH1A1 308/4885
US-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses POLRMT, POLM, POLR1E CYP3A4 916/4885TSHR 4818/4885ALDH1A1 2484/4885
US-20180021325-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX CYP3A4 3767/4885TSHR 4516/4885ALDH1A1 247/4885
US-20180221361-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX CYP3A4 3767/4885TSHR 4516/4885ALDH1A1 247/4885

“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.