SCHEMBL9644178

SCHEMBL9644178

CCCc1nc(C)c(C(=O)O)s1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HPGD P15428 2/20 0.52
TSHR P16473 1/20 0.52
HSP90AA1 P07900 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 5/20 0.44
RAB9A P51151 3/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 3/20 0.43
POLB P06746 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
KMT2A Q03164 1/20 0.40
TARBP2 Q15633 1/20 0.38
TLR8 Q9NR97 1/20 0.37
RECQL P46063 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PKM P14618 1/20 0.36

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
Hydrochloric Acid SCHEMBL9643719 0.98 ALDH1A1 (0.50) ALDH1A1HPGDTSHRHSP90AA1SMN1; SMN2
SCHEMBL20503252 0.88 ALDH1A1 (0.47) ALDH1A1HPGDTSHRHSP90AA1SMN1; SMN2
SCHEMBL20503273 0.86 GPR35 (0.47) ALDH1A1HPGDTSHRHSP90AA1SMN1; SMN2
SCHEMBL9642790 0.85 ALDH1A1 (0.55) ALDH1A1HPGDTSHRHSP90AA1SMN1; SMN2
SCHEMBL9643711 0.84 ALDH1A1 (0.39) ALDH1A1HPGDTSHRHSP90AA1SMN1; SMN2
SCHEMBL2689405 0.84 IKBKB (0.43) ALDH1A1HPGDTSHRHSP90AA1KDM4E
SCHEMBL290086 0.84 ALDH1A1 (0.50) ALDH1A1HPGDTSHRHSP90AA1SMN1; SMN2
SCHEMBL18792363 0.84 ALDH1A1 (0.50) ALDH1A1HPGDTSHRHSP90AA1SMN1; SMN2
Hydrochloric Acid SCHEMBL9642771 0.83 ALDH1A1 (0.53) ALDH1A1HPGDTSHRHSP90AA1SMN1; SMN2
SCHEMBL9643784 0.81 ALDH1A1 (0.36) ALDH1A1HPGDTSHRHSP90AA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364239-B2 Ferroportin inhibitors VIFOR (INTERNATIONAL) AG (CH) 2019-07-30 US disclosed
WO-2017068090-A1 NOVEL FERROPORTIN INHIBITORS VIFOR (INTERNATIONAL) AG (CH) 2017-04-27 WO disclosed
US-5136042-A PROCESS FOR THE PREPARATION OF THIAZOLECARBOXYLIC ACID CHLORIDES MITSUI TOATSU CHEMICALS, INC. (JP) 1992-08-04 US disclosed
EP-0377750-A1 PROCESS FOR PREPARING THIAZOLECARBOXYLIC ACID CHLORIDES MITSUI CHEMICALS, INC. (JP) 1990-07-18 EP 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-10364239-B2 Ferroportin inhibitors HAMP, SLC40A1, HMOX1 ALDH1A1 1716/4885HPGD 81/4885TSHR 2449/4885

“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.