SCHEMBL3100143

SCHEMBL3100143

CCc1nc(-c2ccc(C(=O)O)cc2)no1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.55
ACACA Q13085 1/20 0.55
MITF O75030 1/20 0.52
TP53 P04637 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
RARA P10276 1/20 0.52
RARB P10826 1/20 0.52
RARG P13631 1/20 0.52
TSHR P16473 2/20 0.51
LMNA P02545 1/20 0.51
ATM Q13315 1/20 0.51
NOTUM Q6P988 1/20 0.50
SMPD1 P17405 1/20 0.49
FFAR1 O14842 1/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL19131259 0.88 SMN1; SMN2 (0.64) MITFTP53NCOA3TSHRLMNA
SCHEMBL7448852 0.85 ACACB (0.58) ACACBACACARARARARBRARG
SCHEMBL12171137 0.85 ALDH1A1 (0.58) MITFTP53NCOA3RARBTSHR
SCHEMBL22530488 0.84 TSHR (0.49) MITFTP53NCOA3RARARARB
SCHEMBL7835051 0.84 NOTUM (0.68) MITFTP53NCOA3RARARARB
SCHEMBL22442352 0.83 TSHR (0.59) TP53TSHRLMNAATMNOTUM
SCHEMBL25299060 0.82 NPC1 (0.58) TSHRNOTUMSMPD1ALDH1A1
SCHEMBL31362818 0.82 NPC1 (0.58) TSHRNOTUMSMPD1ALDH1A1
SCHEMBL27147499 0.82 TSHR (0.57) MITFTP53NCOA3RARARARB
SCHEMBL6112858 0.81 ACACB (0.59) ACACBACACAMITFTP53NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US disclosed
EP-3694840-B1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
US-10711027-B2 DNA polymerase beta inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2020-07-14 US disclosed
US-20190202853-A1 DNA POLYMERASE BETA INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2019-07-04 US disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 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 (5 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-10711027-B2 DNA polymerase beta inhibitors POLB, POLH, POLN ACACB 1047/4885ACACA 1550/4885MITF 2936/4885
US-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG ACACB 4264/4885ACACA 4464/4885MITF 731/4885
US-20190202853-A1 DNA POLYMERASE BETA INHIBITORS POLB, POLH, POLN ACACB 1047/4885ACACA 1550/4885MITF 2936/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG ACACB 4264/4885ACACA 4464/4885MITF 731/4885
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 ACACB 4325/4885ACACA 4398/4885MITF 2346/4885

“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.