SCHEMBL21709912

SCHEMBL21709912

S=C(NCCCC1CCCCCCCCCC1)NCC1CCCC(CCCS)CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 6/20 0.40
ADAMTS5 Q9UNA0 6/20 0.40
MMP8 P22894 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
CA9 Q16790 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
EPHX1 P07099 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
MEN1 O00255 2/20 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
SCHEMBL18531459 1.00 ADAMTS4 (0.40) ADAMTS4ADAMTS5MMP8CA12CA1
SCHEMBL7783075 0.77 CA12 (0.55) MMP8CA12CA1CA2MMP1
SCHEMBL15224176 0.76 CYP2D6 (0.45) MMP8CA12CA1CA2MMP1
SCHEMBL24287990 0.74 SIGMAR1 (0.50) ADAMTS4ADAMTS5MMP8EPHX1SIGMAR1
SCHEMBL23131808 0.74 SIGMAR1 (0.50) ADAMTS4ADAMTS5MMP8EPHX1SIGMAR1
SCHEMBL18430288 0.74 SIGMAR1 (0.50) ADAMTS4ADAMTS5MMP8EPHX1SIGMAR1
SCHEMBL23902745 0.74 SIGMAR1 (0.50) ADAMTS4ADAMTS5MMP8EPHX1SIGMAR1
SCHEMBL18823181 0.74 SIGMAR1 (0.50) ADAMTS4ADAMTS5MMP8EPHX1SIGMAR1
SCHEMBL6538230 0.74 CA12 (0.46) MMP8CA12CA1CA2MMP1
SCHEMBL6539544 0.74 CA12 (0.46) MMP8CA12CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889561-B2 Process of making somatostatin modulators Crinetics Pharmaceuticals, Inc. (US) 2021-01-12 US disclosed
US-20200048219-A1 PROCESS OF MAKING SOMATOSTATIN MODULATORS Crinetics Pharmaceuticals, Inc. 2020-02-13 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-20200048219-A1 PROCESS OF MAKING SOMATOSTATIN MODULATORS SSTR5, SSTR4, SSTR2 ADAMTS4 62/4885ADAMTS5 71/4885MMP8 1906/4885
US-10889561-B2 Process of making somatostatin modulators SSTR5, SSTR4, SSTR2 ADAMTS4 62/4885ADAMTS5 71/4885MMP8 1906/4885

“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.