SCHEMBL23780336

SCHEMBL23780336

Cc1n[nH]c(C(=O)O)c1-c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.50
HAO2 Q9NYQ3 1/20 0.49
FBP1 P09467 1/20 0.45
DHODH Q02127 2/20 0.45
KMO O15229 2/20 0.43
GRK6 P43250 1/20 0.42
CHEK1 O14757 1/20 0.41
AKT2 P31751 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
NOTUM Q6P988 1/20 0.41
MAP2K4 P45985 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
CASP1 P29466 1/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL30829469 0.85 LMNA (0.46) HAO2NOTUMMAP2K4MEN1MAPT
SCHEMBL27518675 0.83 AKT2 (0.59) PIN1CHEK1AKT2MEN1NPC1
SCHEMBL7404293 0.80 F11 (0.52) PIN1GRK6
SCHEMBL3836501 0.79 SMN1; SMN2 (0.56) GRK6MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL30829475 0.79 AKT2 (0.62) HAO2CHEK1AKT2NOTUMMEN1
SCHEMBL20213984 0.79 AKT2 (0.62) HAO2CHEK1AKT2NOTUMMEN1
SCHEMBL23294609 0.78 KMO (0.45) HAO2KMOCASP1
SCHEMBL7829159 0.75 ALPL (0.49) CHEK1AKT2MAP2K4MEN1MAPT
SCHEMBL29697849 0.74 FBP1 (0.51) PIN1HAO2FBP1DHODHKMO
SCHEMBL6302515 0.74 KMT2A (0.43) MEN1ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110603254-B Substituted pyrazole compounds and methods of using the same for treating hyperproliferative diseases 班塔姆制药有限责任公司 2024-04-12 CN claimed
CN-118930533-A Substituted pyrazole compounds and methods of using the same for treating hyperproliferative diseases 班塔姆制药有限责任公司 2024-11-12 CN disclosed
CN-110603254-B Substituted pyrazole compounds and methods of using the same for treating hyperproliferative diseases 班塔姆制药有限责任公司 2024-04-12 CN disclosed
US-20230076820-A1 Substituted Pyrazole Compounds and Methods of Using Them for Treatment of Hyperproliferative Diseases BANTAM PHARMACEUTICAL, LLC 2023-03-09 US disclosed
US-20210278408-A1 METHODS OF TREATMENT OF CANCER WITH SUBSTITUTED PYRROLE AND PYRAZOLE COMPOUNDS AND DIAGNOSIS OF CANCERS SUSCEPTIBLE TO TREATMENT WITH SUBSTITUTED PYRROLE AND PYRAZOLE COMPOUNDS BANTAM PHARMACEUTICAL LLC (US) 2021-09-09 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 (2 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-20210278408-A1 METHODS OF TREATMENT OF CANCER WITH SUBSTITUTED PYRROLE AND PYRAZOLE COMPOUNDS AND DIAGNOSIS OF CANCERS SUSCEPTIBLE TO TREATMENT WITH SUBSTITUTED PYRROLE AND PYRAZOLE COMPOUNDS TP53, MKI67, VHL PIN1 306/4885HAO2 4381/4885FBP1 1439/4885
US-20230076820-A1 Substituted Pyrazole Compounds and Methods of Using Them for Treatment of Hyperproliferative Diseases KRAS, TP53, NRAS PIN1 589/4885HAO2 4184/4885FBP1 1425/4885

“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.