SCHEMBL25929802

SCHEMBL25929802

CS(=O)(=O)n1ccc2cc(Br)c(OCc3ccccc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PTGER1 P34995 5/20 0.41
ABCB1 P08183 2/20 0.39
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
MAPK14 Q16539 2/20 0.39
CYP19A1 P11511 2/20 0.39
PTPN1 P18031 2/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR6 P50406 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL4461932 0.74 MAPK14 (0.61) PTGER1MAPK14CYP19A1RAB9ASMN1; SMN2
SCHEMBL3621858 0.74 MAPK14 (0.40) PTGER1MAPK14CYP19A1RAB9ASMN1; SMN2
SCHEMBL1994427 0.74 HTR6 (0.56) HDAC1HDAC6ABCB1SRD5A1SRD5A2
SCHEMBL30559859 0.73 SMN1; SMN2 (0.53) MAPK14PTPN1HTR2AHTR2CRAB9A
SCHEMBL2895199 0.73 SMN1; SMN2 (0.53) MAPK14PTPN1HTR2AHTR2CRAB9A
SCHEMBL17514268 0.70 MAPT (0.49) HDAC1HDAC6RAB9ASMN1; SMN2TDP1
SCHEMBL1994509 0.70 HDAC1 (0.51) HDAC1HDAC6HTR6L3MBTL1
SCHEMBL24855373 0.70 PTGER1 (0.51) PTGER1CYP19A1
SCHEMBL6762763 0.68 PTPN1 (0.41) PTGER1ABCB1CYP19A1PTPN1HTR2A
SCHEMBL20982537 0.68 HTR2A (0.52) HDAC1HDAC6ABCB1PTPN1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
EP-3340983-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2023-10-04 EP disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11649229-B2 Amide compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 US disclosed
US-11649229-B2 Amide compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 US disclosed
US-11649223-B2 Amino compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 US disclosed
US-11649223-B2 Amino compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 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-11649229-B2 Amide compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH HDAC1 289/4885HDAC6 980/4885PTGER1 875/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH HDAC1 1872/4885HDAC6 2840/4885PTGER1 491/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH HDAC1 1872/4885HDAC6 2840/4885PTGER1 491/4885
US-11649223-B2 Amino compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH HDAC1 3416/4885HDAC6 4403/4885PTGER1 1670/4885

“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.