SCHEMBL6561003

SCHEMBL6561003

Cc1c(N)ccc(I)c1F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
TSHR P16473 2/20 0.40
PIK3CA P42336 1/20 0.40
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7546313 0.96 CYP3A4 (0.37) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL30040952 0.81 CYP3A4 (0.35) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL24697150 0.81 CYP3A4 (0.35) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL18101283 0.79 ACHE (0.30)
SCHEMBL219898 0.77 ALDH1A1 (0.35) ALDH1A1
SCHEMBL850724 0.77 CYP3A4 (0.46) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL5399321 0.75 ACHE (0.31)
SCHEMBL29947309 0.75 CYP3A4 (0.43) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL23099880 0.75 CYP1A2 (0.31) TSHR
SCHEMBL16805981 0.75 CYP3A4 (0.43) CYP3A4TSHRPIK3CAALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759769-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARMECEUTICAL INC (US) 2020-09-01 US disclosed
US-20190248754-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMECEUTICAL INC (US) 2019-08-15 US disclosed
EP-3268355-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2019-06-12 EP disclosed
US-10227312-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARMACEUTICAL INC. (US) 2019-03-12 US disclosed
US-20180044302-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2018-02-15 US disclosed
US-20180044302-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2018-02-15 US disclosed
WO-2016145153-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-09-15 WO disclosed
EP-1781600-B1 BENZOIC ACID DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2011-09-28 EP disclosed
EP-1797062-B1 ALKYNYL BASED DERVATIVES OF BENZOPHENONE AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2011-01-12 EP disclosed
US-7569723-B2 Benzoic acid derivatives as non nucleoside reverse-transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-04 US disclosed
US-7569723-B2 Benzoic acid derivatives as non nucleoside reverse-transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-04 US disclosed
US-20080114068-A1 BENZOIC ACID DERIVATIVES AS NON NUCLEOSIDE REVERSE-TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-15 US disclosed
US-20080114068-A1 BENZOIC ACID DERIVATIVES AS NON NUCLEOSIDE REVERSE-TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-15 US disclosed
US-7300948-B2 Alkynyl compounds as non nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-27 US disclosed
US-7300948-B2 Alkynyl compounds as non nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-27 US disclosed
EP-1214296-B1 SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2004-03-24 EP disclosed
US-6689909-B1 TREATMENT OF DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF DIABETES MELLITUS, PERIPHERAL VASCULAR DISEASE AND MYOCARDIAL ISCHAEMIA ASTRAZENECA AB (SE) 2004-02-10 US disclosed
EP-1214296-A1 SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2002-06-19 EP disclosed
WO-2001017956-A1 SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2001-03-15 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 (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-10759769-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 CYP3A4 3339/4885TSHR 3371/4885PIK3CA 1496/4885
US-20180044302-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 CYP3A4 3339/4885TSHR 3371/4885PIK3CA 1496/4885
US-20080114068-A1 BENZOIC ACID DERIVATIVES AS NON NUCLEOSIDE REVERSE-TRANSCRIPTASE INHIBITORS POLR2A, POLR1A, RTF1 CYP3A4 492/4885TSHR 3012/4885PIK3CA 2591/4885
US-20190248754-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 CYP3A4 3339/4885TSHR 3371/4885PIK3CA 1496/4885
US-10227312-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 CYP3A4 3339/4885TSHR 3371/4885PIK3CA 1496/4885

“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.