SCHEMBL1665113

SCHEMBL1665113

CC(C)(C)C(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
TP53 P04637 1/20 0.60
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SRD5A2 P31213 4/20 0.54
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50
TYR P14679 1/20 0.50
DRD1 P21728 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48

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
SCHEMBL2250433 0.98 TSHR (0.57) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
SCHEMBL10031827 0.89 PGR (0.47) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL10332533 0.84 TSHR (0.75) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
SCHEMBL14845141 0.83 TSHR (0.57) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
SCHEMBL15745797 0.82 PGR (0.51) SMN1; SMN2CA1CA2CA12CA9
SCHEMBL5058744 0.82 PGR (0.43) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
SCHEMBL226691 0.82 CES1 (0.58) TSHRALDH1A1SMN1; SMN2CA1CA2
SCHEMBL10483771 0.82 ELANE (0.54) ALDH1A1SRD5A2HPGD
Terephthalic Acid SCHEMBL1243625 0.81 TSHR (0.80) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL3691392 0.81 TSHR (0.92) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378728-A Benzoic acid derivatives as antidiabetic agents SANDOZ LTD. (CH) 1995-01-03 US claimed
US-4015010-A ANTIOBESITY, ANTIDIABETIC, HYPOLIPIDEMIC AGENTS SANDOZ, INC. (US) 1977-03-29 US claimed
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-10385150-B2 Cyclopropenium polymers and methods for making the same THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-08-20 US disclosed
US-20190106460-A1 BINDING INHIBITORS OF THE BETA. TRANSDUCIN REPEAT-CONTAINING PROTEIN BRADLEY MARK (GB) 2019-04-11 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
US-20180215847-A1 CYCLOPROPENIUM POLYMERS AND METHODS FOR MAKING THE SAME THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2018-08-02 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP disclosed
CN-107922347-A New imide derivative and its purposes as medicine 田边三菱制药株式会社 2018-04-17 CN disclosed
US-6395930-B1 AMINE SULFIDE PHOSPHATE OR SULFATE REAGENTS WARNER LAMBERT 2002-05-28 US disclosed
US-6121488-A Quenching reagents for solution phase synthesis WARNER-LAMBERT COMPANY (US) 2000-09-19 US disclosed
US-5378728-A Benzoic acid derivatives as antidiabetic agents SANDOZ LTD. (CH) 1995-01-03 US disclosed
EP-0463989-B1 N-oxyimidic acid derivatives SANDOZ LTD (CH) 1994-12-28 EP disclosed
US-5368771-A Enantiomorphs KASHIMA OIL COMPANY (JP) 1994-11-29 US disclosed
US-5319123-A Reacting an N-alkoxyamide with an acyl halide in the presence of a hindered base SANDOZ LTD. (CH) 1994-06-07 US disclosed
EP-0463989-A1 N-oxyimidic acid derivatives SANDOZ LTD. (CH) 1992-01-02 EP disclosed
US-4021492-A P-PIVALOYL TOLUENE, BROMINE SANDOZ, INC. (US) 1977-05-03 US disclosed
US-4015010-A ANTIOBESITY, ANTIDIABETIC, HYPOLIPIDEMIC AGENTS SANDOZ, INC. (US) 1977-03-29 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-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 TSHR 4671/4885TP53 663/4885ALDH1A1 3246/4885
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 TSHR 3522/4885TP53 4082/4885ALDH1A1 584/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 TSHR 3141/4885TP53 3806/4885ALDH1A1 610/4885
US-20190106460-A1 BINDING INHIBITORS OF THE BETA. TRANSDUCIN REPEAT-CONTAINING PROTEIN TARDBP, DDB1, EPS15 TSHR 1854/4885TP53 858/4885ALDH1A1 4636/4885

“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.