SCHEMBL21979243

SCHEMBL21979243

N[C@@H](Cc1ccc(Br)c2nccnc12)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
BLM P54132 3/20 0.41
PMP22 Q01453 3/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 2/20 0.41
PKM P14618 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
NFKB1 P19838 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HIF1A Q16665 2/20 0.41
MEN1 O00255 2/20 0.41
RGS12 O14924 1/20 0.41
CYP2C9 P11712 1/20 0.41
CASP1 P29466 1/20 0.41
BRCA1 P38398 1/20 0.41

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
SCHEMBL21979244 1.00 HSD17B10 (0.42) HSD17B10KDM4ELMNAMAPTBLM
SCHEMBL21979268 0.83 KMT2A (0.47) HSD17B10KDM4ELMNAMAPTBLM
SCHEMBL28572795 0.83 PTGS2 (0.35) KMT2AALDH1A1MEN1POLBGRIN3B
SCHEMBL21979266 0.83 KMT2A (0.47) HSD17B10KDM4ELMNAMAPTBLM
SCHEMBL29671111 0.83 PTGS2 (0.35) KMT2AALDH1A1MEN1POLBGRIN3B
SCHEMBL21957194 0.83 KDM4E (0.44) HSD17B10KDM4ELMNAMAPTBLM
SCHEMBL21957195 0.83 KDM4E (0.44) HSD17B10KDM4ELMNAMAPTBLM
Hydrochloric Acid SCHEMBL21978760 0.82 KMT2A (0.49) HSD17B10KDM4ELMNAMAPTBLM
Hydrochloric Acid SCHEMBL21978763 0.82 KMT2A (0.49) HSD17B10KDM4ELMNAMAPTBLM
SCHEMBL21979407 0.82 CYP1A2 (0.40) HSD17B10KDM4ELMNAMAPTBLM

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-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
EP-3873605-A1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES, INC. (US) 2021-09-08 EP disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 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 (3 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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 HSD17B10 3214/4885KDM4E 1442/4885LMNA 2479/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 HSD17B10 2691/4885KDM4E 1209/4885LMNA 3437/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 HSD17B10 3214/4885KDM4E 1442/4885LMNA 2479/4885

“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.