SCHEMBL750101

SCHEMBL750101

CCOC(=O)C1CNc2cc(Br)ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
KMT2A Q03164 7/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
MEN1 O00255 5/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 5/20 0.41
TDP2 O95551 1/20 0.41
BCL2 P10415 1/20 0.41
MAPK1 P28482 2/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL24378152 0.90 KMT2A (0.47) HSD17B10CYP4F2CYP4A11KMT2AHPGD
SCHEMBL7817820 0.87 HSD17B10 (0.60) HSD17B10CYP4F2CYP4A11KMT2AHPGD
Hydrochloric Acid SCHEMBL11562060 0.86 HSD17B10 (0.59) HSD17B10CYP4F2CYP4A11KMT2AHPGD
SCHEMBL24378020 0.86 KMT2A (0.47) HSD17B10KMT2AHPGDCYP1A2CYP3A4
SCHEMBL29527171 0.85 POLB (0.55) HSD17B10CYP4F2CYP4A11KMT2AHPGD
SCHEMBL13675536 0.85 HSD17B10 (0.46) HSD17B10CYP4F2CYP4A11KMT2AHPGD
SCHEMBL7819909 0.85 HSD17B10 (0.46) HSD17B10CYP4F2CYP4A11KMT2AHPGD
SCHEMBL3353094 0.85 POLB (0.55) HSD17B10CYP4F2CYP4A11KMT2AHPGD
SCHEMBL23420329 0.84 HSD17B10 (0.46) HSD17B10CYP4F2CYP4A11KMT2AHPGD
Hydrochloric Acid SCHEMBL11561609 0.84 HSD17B10 (0.46) HSD17B10CYP4F2CYP4A11KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. 2023-12-14 US disclosed
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. 2023-12-14 US disclosed
WO-2022087433-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-28 WO disclosed
EP-1996563-B1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2012-03-21 EP disclosed
US-8030308-B2 Bicyclic sulfonamide derivatives which are L-CPT 1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-10-04 US disclosed
US-20110046112-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS ACKERMANN JEAN 2011-02-24 US disclosed
US-7879845-B2 Liver carnitine-dependent palmitoyltransferase (L-CPT1) inhibitors such as 4-{[4-(5-Chloro-2-methoxy-benzenesulfonyl)-3,4-dihydro-2H-benzo[1,4]thiazine-6-carbonyl]-amino}-benzoic acid, used for the treatment of non-insulin dependent diabetes; antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2011-02-01 US disclosed
US-20100130484-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS ACKERMANN JEAN 2010-05-27 US disclosed
US-7696200-B2 Bicyclic sulfonamide derivatives which are L-CPT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
EP-1996563-A1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-12-03 EP disclosed
WO-2007093507-A1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-16 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-20110046112-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 HSD17B10 294/4885CYP4F2 446/4885CYP4A11 459/4885
US-20100130484-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 HSD17B10 294/4885CYP4F2 446/4885CYP4A11 459/4885
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 HSD17B10 294/4885CYP4F2 446/4885CYP4A11 459/4885
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER CKMT1A; CKMT1B, PHKG1, PCK1 HSD17B10 1077/4885CYP4F2 2245/4885CYP4A11 3363/4885

“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.