SCHEMBL24906216

SCHEMBL24906216

Nc1ccc(SI)cc1F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
FFAR4 Q5NUL3 1/20 0.33
PLK4 O00444 1/20 0.30

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
SCHEMBL5981668 0.81 ALDH1A1 (0.54) ALDH1A1CA12CA1CA2CA4
SCHEMBL29019053 0.81 ALDH1A1 (0.54) ALDH1A1CA12CA1CA2CA4
SCHEMBL19121400 0.78 DDB1 (0.37) CA2CA4
SCHEMBL388877 0.77 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA4
SCHEMBL3627129 0.74 ALDH1A1 (0.54) ALDH1A1CA12CA1CA2CA4
SCHEMBL20565399 0.74 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL10361848 0.74 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL5991978 0.72 ALDH1A1 (0.45) ALDH1A1CA12CA1CA2CA4
SCHEMBL3658992 0.72 ALDH1A1 (0.45) ALDH1A1CA12CA1CA2CA4
SCHEMBL10415137 0.72 ALDH1A1 (0.45) ALDH1A1CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4233834-A2 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF BIRTHMARKS NFlection Therapeutics, Inc. (US) 2023-08-30 EP disclosed
EP-4233865-A2 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF SKIN CANCERS NFlection Therapeutics, Inc. (US) 2023-08-30 EP disclosed
US-20230013227-A1 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF BIRTHMARKS NFLECTION THERAPEUTICS, INC. 2023-01-19 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 (1 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-20230013227-A1 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF BIRTHMARKS HTR3C, NDUFA13, NDUFAF3 ALDH1A1 1050/4885CA12 4560/4885CA1 4855/4885

“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.