SCHEMBL9705401

SCHEMBL9705401

O=C(NC(CS)C(=O)O)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
CTSL P07711 1/20 0.53
HDAC1 Q13547 1/20 0.53
HPGD P15428 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
HSPA5 P11021 3/20 0.50
HSPA1A P0DMV8 1/20 0.50
HSPA9 P38646 1/20 0.50
HSPA2 P54652 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ECE1 P42892 1/20 0.50
NPC1 O15118 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL9705400 1.00 RAB9A (0.54) RAB9ACTSLHDAC1HPGDCA1
SCHEMBL11386076 1.00 RAB9A (0.54) RAB9ACTSLHDAC1HPGDCA1
SCHEMBL8144685 0.86 HSPA5 (0.61) RAB9ACTSLHDAC1HPGDHSPA5
SCHEMBL10654984 0.84 CTSL (0.68) RAB9ACTSLHPGDCA1CA2
SCHEMBL10654990 0.84 CTSL (0.68) RAB9ACTSLHPGDCA1CA2
SCHEMBL10569530 0.83 ALDH1A1 (0.55) RAB9ACTSLHDAC1HPGDCA1
SCHEMBL1605401 0.83 ALDH1A1 (0.55) RAB9ACTSLHDAC1HPGDCA1
SCHEMBL4384045 0.82 CA2 (0.53) RAB9ACTSLHDAC1HPGDCA1
SCHEMBL16993875 0.81 CTSL (0.57) RAB9ACTSLHPGDCA1CA2
SCHEMBL11385542 0.81 KMT2A (0.53) RAB9ACTSLHDAC1HPGDHSPA5

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-9770170-B2 Methods for diagnosing, treating, and monitoring chronic inflammatory response syndrome SHOEMAKER RITCHIE (US) 2017-09-26 US disclosed
US-20160000837-A1 COMPOSITIONS AND METHODS TO ALTER GUT MICROBIAL FERMENTATION USING SULFATE-REDUCING BACTERIA NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 US disclosed
WO-1992016204-A1 METHOD OF REDUCING SERUM LEVELS OF LIPOPROTEIN(A) MEDICIS CORPORATION (US) 1992-10-01 WO disclosed
US-4259508-A MUCOLYTIC, EMOLLIENT BLUM JEAN 1981-03-31 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 (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-20160000837-A1 COMPOSITIONS AND METHODS TO ALTER GUT MICROBIAL FERMENTATION USING SULFATE-REDUCING BACTERIA SI, HSD17B14, MGAM RAB9A 3066/4885CTSL 3574/4885HDAC1 405/4885

“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.